[Wien] include the d shell to Na

Wei Zhou zdw2000 at gmail.com
Sun Jul 5 05:21:20 CEST 2009


dear users ;
           I want to take  more empty shell consideration into ,     for
example ;  Na  is 2p63s1, I want to take the 3p and 3d electron into
consideration,
so how can I do for this,at high pressure ,the d shell  should  be occupated
, however ,I didnot find the d shell in the output.

can you say something about it ? any help will be appreciated


thank you very much


-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090704/4956d988/attachment.htm>


More information about the Wien mailing list